ChemSpider 2D Image | 5-(Cyclohexylmethoxy)-2-[(isopropylsulfanyl)methyl]-1-octyl-4(1H)-pyridinone | C24H41NO2S

5-(Cyclohexylmethoxy)-2-[(isopropylsulfanyl)methyl]-1-octyl-4(1H)-pyridinone

  • Molecular FormulaC24H41NO2S
  • Average mass407.653 Da
  • Monoisotopic mass407.285797 Da
  • ChemSpider ID123419038

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

4(1H)-Pyridinone, 5-(cyclohexylmethoxy)-2-[[(1-methylethyl)thio]methyl]-1-octyl- [ACD/Index Name]
5-(Cyclohexylmethoxy)-2-[(isopropylsulfanyl)methyl]-1-octyl-4(1H)-pyridinon [German] [ACD/IUPAC Name]
5-(Cyclohexylmethoxy)-2-[(isopropylsulfanyl)methyl]-1-octyl-4(1H)-pyridinone [ACD/IUPAC Name]
5-(Cyclohexylméthoxy)-2-[(isopropylsulfanyl)méthyl]-1-octyl-4(1H)-pyridinone [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 516.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.8±3.0 kJ/mol
Flash Point: 266.1±30.1 °C
Index of Refraction: 1.530
Molar Refractivity: 122.2±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 7.72
ACD/LogD (pH 5.5): 7.43
ACD/BCF (pH 5.5): 260406.48
ACD/KOC (pH 5.5): 261850.34
ACD/LogD (pH 7.4): 7.43
ACD/BCF (pH 7.4): 260500.86
ACD/KOC (pH 7.4): 261945.23
Polar Surface Area: 55 Å2
Polarizability: 48.4±0.5 10-24cm3
Surface Tension: 40.9±5.0 dyne/cm
Molar Volume: 395.5±5.0 cm3

Click to predict properties on the Chemicalize site


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